2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxidanylidene-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxidanylidene-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-3-(2-furylmethyl)-4-oxo-N-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-3-(2-furanylmethyl)-4-oxo-N-(2-oxolanylmethyl)-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxo-N-(oxolan-2-ylmethyl)quinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-4-fluoro-benzyl)thio]-3-(2-furfuryl)-4-keto-N-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C26H23ClFN3O4S MolecularWeight: 527.994923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=C(C=C(C=C4)F)Cl)CC5=CC=CO5

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=C(C=C(C=C4)F)Cl)CC5=CC=CO5

InChI

InChI=1S/C26H23ClFN3O4S/c27-22-12-18(28)7-5-17(22)15-36-26-30-23-11-16(24(32)29-13-19-3-1-9-34-19)6-8-21(23)25(33)31(26)14-20-4-2-10-35-20/h2,4-8,10-12,19H,1,3,9,13-15H2,(H,29,32)